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9-[(2-azanyl-4,5-dihydro-1H-imidazol-5-yl)-oxidanyl-methyl]-6-[[2-azanyl-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-oxidanyl-methyl]-3-(hydroxymethyl)-12-[[4-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyphenyl]methyl]-15-(phenylmethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

Systemtic Name:	9-[(2-azanyl-4,5-dihydro-1H-imidazol-5-yl)-oxidanyl-methyl]-6-[[2-azanyl-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-oxidanyl-methyl]-3-(hydroxymethyl)-12-[[4-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyphenyl]methyl]-15-(phenylmethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Openeye Name:	9-[(2-amino-4,5-dihydro-1H-imidazol-5-yl)-hydroxy-methyl]-6-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxy-methyl]-15-benzyl-12-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyphenyl]methyl]-3-(hydroxymethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CAS Name:	9-[(2-amino-4,5-dihydro-1H-imidazol-5-yl)-hydroxymethyl]-6-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-12-[[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]phenyl]methyl]-3-(hydroxymethyl)-15-(phenylmethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
IUPAC Name:	9-[(2-amino-4,5-dihydro-1H-imidazol-5-yl)-hydroxymethyl]-6-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-15-benzyl-12-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]methyl]-3-(hydroxymethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Traditional Name:	9-[(2-amino-2-imidazolin-4-yl)-hydroxy-methyl]-6-[[2-amino-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)-2-imidazolin-4-yl]-hydroxy-methyl]-15-benzyl-12-[4-[3,4-dihydroxy-6-methylol-5-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxybenzyl]-3-methylol-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-triquinone
Formula:	C₅₃H₇₆N₁₂O₂₅
MolecularWeight:	1281.23594

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=N1)N)C(C2C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2)CC3=CC=C(C=C3)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)CC6=CC=CC=C6)CO)C(C7CN=C(N7C8C(C(C(C(O8)CO)O)O)O)N)O)O

Isomeric SMILES

C1C(NC(=N1)N)C(C2C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2)CC3=CC=C(C=C3)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)CC6=CC=CC=C6)CO)C(C7CN=C(N7C8C(C(C(C(O8)CO)O)O)O)N)O)O

InChI

InChI=1S/C53H76N12O25/c54-52-57-12-24(62-52)33(71)31-48(85)64-32(34(72)26-13-58-53(55)65(26)49-40(78)37(75)35(73)27(16-67)87-49)47(84)61-25(15-66)44(81)56-14-30(70)59-22(10-19-4-2-1-3-5-19)45(82)60-23(46(83)63-31)11-20-6-8-21(9-7-20)86-50-42(80)39(77)43(29(18-69)89-50)90-51-41(79)38(76)36(74)28(17-68)88-51/h1-9,22-29,31-43,49-51,66-69,71-80H,10-18H2,(H2,55,58)(H,56,81)(H,59,70)(H,60,82)(H,61,84)(H,63,83)(H,64,85)(H3,54,57,62)

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